Textbook of Drug Design and Discovery, Third Edition

Building on the success of the previous editions, Textbook of Drug Design and Discovery has been thoroughly revised and updated to provide a complete source of information on all facets of drug design and discovery for students of chemistry, pharmacy, pharmacology, biochemistry, and medicine. The book follows drug design from the initial lead identification through optimization and structure-activity relationship with reference to the final processes of clinical evaluation and registration. Chapters investigate the design of enzyme inhibitors and drugs for particular cellular targets such as ion channels and receptors, and also explore specific classes of drug such as peptidomimetics, antivirals and anticancer agents. The use of gene technology in pharmaceutical research, computer modeling techniques, and combinatorial approaches are also included.

Table of Contents:
DRUG DESIGN AND DISCOVERY: AN OVERVIEW Lester A. Mitscher Introduction Historical Perspective What Kinds of Compounds Become Drugs? Preparation and Organization for Drug Seeking Sources of Hits, Leads, and Candidate Drugs Lead Optimization Cell Biology and Genomics as a source of Drug Targets Future Developments ROLE OF MOLECULAR RECOGNITION IN DRUG DESIGN Peter Andrews and Michael Dooley Introduction Thermodynamic Considerations of Drug Binding The Physical Basis of Intermolecular interaction The Total Energy of Intermolecular interaction Estimating Individual Group Components in Ligand-Receptor Interactions and Co- Operativity Some Rules of Thumb STEREOCHEMISTRY IN DRUG DESIGN Ian J. Kennedy and David E. Jane Introduction What Are Stereoisomers? The Origin of Stereospecificity in Molecular Recognition Why is Stereochemistry Important in Drug Design? Methods of Obtaining Pure Stereoisomers Analytical Methods of Determining Purity of Stereoisomers COMPUTER-AIDED DEVELOPMENT OF THREE-DIMENSIONAL PHARMACOPHORE MODELS Tommy Liljefors and Ingrid Petterson Structure-and Pharmacophore-Based Ligand Design The Pharmacophore Concept Basic Principles and a Step-By-Step Procedure Pharmacophore Elements and Their Representations The Receptor-Bound or 'Active' Conformation Molecular Superimposition Receptor-Excluded and Receptor-Essential Volumes Solvation Effects Examples of 3D-Pharmacophore Models and Their Use QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIPS AND EXPERIMENTAL DESIGN Ulf Norinder and Thomas Hoberg Introduction Hansch Analysis Physico-Chemical Properties Applications of Hansch Equations Pattern Recognition 3D-QSAR Methodologies Experimental Design RECEPTORS: STRUCTURE, FUNCTION AND PHARMACOLOGY Hans Brauner-Osborne Introduction Receptor Structure and Function Receptor Pharmacology